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Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
	2090	100-33-4

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: pentamidine isetionate pentamidine diisethionate pentamidine pentamidine isethionate pentamidin pentamidine mesylate pentamidine mesilate	Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects. Molecular weight: 340.43 Formula: C19H24N4O2 CLOGP: 2.31 LIPINSKI: 0 HAC: 6 HDO: 4 TPSA: 118.20 ALOGS: -4.16 ROTB: 10 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

pentamidine isetionate
pentamidine diisethionate
pentamidine
pentamidine isethionate
pentamidin
pentamidine mesylate
pentamidine mesilate

Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.

Molecular weight: 340.43
Formula: C19H24N4O2
CLOGP: 2.31
LIPINSKI: 0
HAC: 6
HDO: 4
TPSA: 118.20
ALOGS: -4.16
ROTB: 10

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
0.28	g	P

ADMET properties:

Property	Value	Reference
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Benet LZ, Broccatelli F, Oprea TI
S (Water solubility)	100 mg/mL	Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine)	12 %	Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose)	11.75 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability)	0 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution)	53 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	74 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.09 %	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	25 hours	Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	-0.914		High	1
caco2-efflux	Caco-2 efflux ratio (BA/AB)	1.340		High	1
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	0.181	10^-6 cm/s	High	1
dh-clint	Dog hepatocyte intrinsic clearance	6.152	uL/min/10^6 cells	High	1
dppb	Dog plasma protein binding (% unbound)	21.830	%	High	1
fcs-ppb	Fetal calf serum protein binding (% unbound)	49.370	%	High	1
herg	hERG pIC50	4.675	pIC50	High	1
hh-clint	Human hepatocyte intrinsic clearance	1.841	uL/min/10^6 cells	High	1
hlm-clint	Human liver microsomal intrinsic clearance	11.350	uL/min/mg protein	High	1
hppb	Human plasma protein binding (% unbound)	45.460	%	High	1
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KIT,MAP2K1,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70	74
kinase-selectivity-class	ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK4,EIF2AK3,ERBB2,GRK2,GRK3,MAPK7,PRKCD,SIK2,SIK3,STK33,ULK1,ULK2	17
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	2.985		High	1
mh-clint	Mouse hepatocyte intrinsic clearance	21.478		High	1
mppb	Mouse plasma protein binding (% unbound)	14.260		High	1
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	2.985		High	1
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pld-class	Phospholipidosis risk class (1 = positive, 0 = negative)	0		High	1
pppb	Pig plasma protein binding (% unbound)	58.380	%	High	1
rh-clint	Rat hepatocyte intrinsic clearance	7.311	uL/min/10^6 cells	High	1
rh-fuinc	Rat hepatocyte fraction unbound in incubation	27.500	%	High	1
rppb	Rat plasma protein binding (% unbound)	44.500	%	High	1
solubility-dd	Solubility at pH 7.4 in DMSO	336.512	uM	High	1

Approvals:

Date	Agency	Company	Orphan
Oct. 16, 1984	FDA	FRESENIUS KABI USA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Pneumocystis jirovecii pneumonia	207.09	24.76	73	6709	21543	90600122
Febrile neutropenia	177.57	24.76	123	6659	158226	90463439
Aplastic anaemia	175.08	24.76	57	6725	13212	90608453
Toxoplasmosis	160.12	24.76	35	6747	1750	90619915
Neutropenia	99.15	24.76	102	6680	224802	90396863
Antinuclear antibody negative	89.91	24.76	16	6766	270	90621395
Pulmonary mucormycosis	83.99	24.76	17	6765	583	90621082
Coombs positive haemolytic anaemia	81.31	24.76	16	6766	474	90621191
Nocardiosis	77.78	24.76	21	6761	2549	90619116
Hypoalbuminaemia	71.33	24.76	31	6751	15866	90605799
Cytomegalovirus viraemia	70.24	24.76	25	6757	7561	90614104
Haemophagocytic lymphohistiocytosis	68.88	24.76	30	6752	15429	90606236
Cytomegalovirus infection reactivation	65.82	24.76	24	6758	7776	90613889
Cytokine release syndrome	65.75	24.76	35	6747	27938	90593727
Herpes simplex reactivation	64.32	24.76	15	6767	1004	90620661
Antithrombin III	63.60	24.76	11	6771	156	90621509
Lymphopenia	63.47	24.76	32	6750	22849	90598816
Thrombocytopenia	63.35	24.76	78	6704	208647	90413018
Systemic mycosis	63.17	24.76	16	6766	1514	90620151
Gastritis haemorrhagic	60.59	24.76	16	6766	1784	90619881
Pancytopenia	59.25	24.76	58	6724	120205	90501460
Plasma cell myeloma	58.42	24.76	37	6745	40791	90580874
Antiphospholipid syndrome	56.89	24.76	16	6766	2258	90619407
Systemic candida	56.18	24.76	19	6763	4940	90616725
Thrombotic microangiopathy	55.67	24.76	26	6756	15717	90605948
Complex regional pain syndrome	54.41	24.76	16	6766	2643	90619022
Delayed graft function	54.40	24.76	14	6768	1411	90620254
Immune effector cell-associated neurotoxicity syndrome	53.37	24.76	19	6763	5749	90615916
Mucormycosis	52.76	24.76	17	6765	3804	90617861
Ectropion	52.64	24.76	10	6772	245	90621420
Pyrexia	50.62	24.76	135	6647	660350	89961315
Multiple organ dysfunction syndrome	49.56	24.76	41	6741	68295	90553370
Cryptosporidiosis infection	47.52	24.76	10	6772	416	90621249
Graft versus host disease	46.99	24.76	19	6763	8125	90613540
Acute respiratory failure	44.84	24.76	32	6750	42886	90578779
Anxiety disorder	44.73	24.76	16	6766	4906	90616759
Acute kidney injury	44.30	24.76	83	6699	320304	90301361
Measles	42.55	24.76	9	6773	384	90621281
Cytopenia	41.47	24.76	22	6760	17427	90604238
Focal myositis	41.35	24.76	6	6776	24	90621641
Respiratory failure	40.39	24.76	47	6735	118371	90503294
Cytomegalovirus infection	40.29	24.76	25	6757	26577	90595088
Pain	39.13	24.76	13	6769	996328	89625337
Erysipelas	38.48	24.76	17	6765	9035	90612630
Rhodococcus infection	37.88	24.76	7	6775	147	90621518
Leukopenia	37.78	24.76	42	6740	100668	90520997
Renal tubular necrosis	36.43	24.76	19	6763	14536	90607129
Mycobacterium avium complex infection	36.03	24.76	13	6769	4085	90617580
Human herpesvirus 6 infection	34.40	24.76	12	6770	3420	90618245
Enterococcal infection	33.78	24.76	16	6766	9975	90611690
Septic shock	33.12	24.76	36	6746	84124	90537541
Pleuritic pain	33.08	24.76	16	6766	10445	90611220
Encephalitis cytomegalovirus	32.04	24.76	8	6774	714	90620951
Escherichia bacteraemia	31.78	24.76	13	6769	5722	90615943
Eye infection toxoplasmal	30.84	24.76	7	6775	415	90621250
Brain oedema	30.61	24.76	18	6764	17367	90604298
Acute lung injury	30.59	24.76	9	6773	1489	90620176
Acute graft versus host disease in skin	30.58	24.76	12	6770	4744	90616921
Bone marrow failure	29.08	24.76	22	6760	32199	90589466
Bronchopulmonary aspergillosis	28.87	24.76	15	6767	11383	90610282
Sepsis	27.88	24.76	49	6733	179765	90441900
Adenovirus infection	27.41	24.76	11	6771	4611	90617054
Pancreatitis acute	26.95	24.76	21	6761	32094	90589571
Mental status changes	26.68	24.76	24	6758	44655	90577010
Alopecia	26.59	24.76	3	6779	495068	90126597
Cytomegalovirus gastroenteritis	26.55	24.76	6	6776	349	90621316
Blood phosphorus decreased	26.50	24.76	11	6771	5023	90616642
Varicella	26.41	24.76	9	6773	2393	90619272
Aplasia pure red cell	26.17	24.76	11	6771	5183	90616482
Osteonecrosis	26.11	24.76	19	6763	26222	90595443
Peritonitis	26.06	24.76	17	6765	19688	90601977
Hyperlipidaemia	26.05	24.76	18	6764	22898	90598767
Arthralgia	25.91	24.76	13	6769	778509	89843156
Neutrophil count decreased	25.39	24.76	29	6753	71503	90550162

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Nocardiosis	166.86	19.97	56	8733	5134	42607412
Aplastic anaemia	138.51	19.97	62	8727	12322	42600224
Mucosal inflammation	136.81	19.97	99	8690	49275	42563271
Cerebral toxoplasmosis	119.26	19.97	35	8754	2063	42610483
Stenotrophomonas infection	119.18	19.97	40	8749	3664	42608882
Febrile bone marrow aplasia	107.58	19.97	49	8740	10132	42602414
Toxoplasmosis	105.55	19.97	30	8759	1577	42610969
Febrile neutropenia	95.19	19.97	151	8638	185552	42426994
Graft versus host disease	84.95	19.97	45	8744	12880	42599666
Pneumocystis jirovecii pneumonia	82.51	19.97	56	8733	25125	42587421
Neutropenia	73.19	19.97	140	8649	199291	42413255
Respiratory failure	72.28	19.97	109	8680	128023	42484523
Cytokine release syndrome	61.96	19.97	60	8729	44467	42568079
Chronic graft versus host disease	60.51	19.97	28	8761	5997	42606549
Pulmonary nocardiosis	60.00	19.97	20	8769	1792	42610754
Pyrexia	59.49	19.97	197	8592	393845	42218701
Disseminated toxoplasmosis	57.72	19.97	13	8776	262	42612284
Troponin T increased	55.22	19.97	21	8768	2759	42609787
Venoocclusive liver disease	48.97	19.97	29	8760	10273	42602273
Glomerulosclerosis	47.13	19.97	14	8775	860	42611686
Immune reconstitution inflammatory syndrome	46.77	19.97	28	8761	10115	42602431
Botulism	43.92	19.97	10	8779	212	42612334
Pancytopenia	43.50	19.97	83	8706	117660	42494886
Oesophagitis	40.86	19.97	30	8759	15217	42597329
Cytomegalovirus infection	38.42	19.97	40	8749	32266	42580280
Haemophagocytic lymphohistiocytosis	38.22	19.97	31	8758	18191	42594355
Kidney fibrosis	38.18	19.97	16	8773	2706	42609840
N-terminal prohormone brain natriuretic peptide increased	37.67	19.97	17	8772	3436	42609110
Haematopoietic stem cell mobilisation	34.21	19.97	9	8780	353	42612193
Graft complication	32.17	19.97	10	8779	716	42611830
Pneumonia toxoplasmal	31.98	19.97	6	8783	46	42612500
Cytomegalovirus viraemia	31.43	19.97	22	8767	10355	42602191
Aspergillus infection	31.24	19.97	26	8763	15811	42596735
Death	31	19.97	31	8758	471154	42141392
Cystitis haemorrhagic	30.63	19.97	19	8770	7310	42605236
Tooth dislocation	30.51	19.97	5	8784	15	42612531
Enterovirus infection	30.19	19.97	11	8778	1282	42611264
Thyroid gland abscess	29.47	19.97	6	8783	73	42612473
Staphylococcal bacteraemia	27.82	19.97	21	8768	11100	42601446
Genitourinary tract infection	26.97	19.97	6	8783	114	42612432
Infectious thyroiditis	26.54	19.97	6	8783	123	42612423
Cardiac pacemaker evaluation	26.40	19.97	6	8783	126	42612420
Generalised oedema	25.82	19.97	23	8766	15313	42597233
Bacterial toxaemia	25.76	19.97	6	8783	141	42612405
Staphylococcal scalded skin syndrome	24.90	19.97	7	8782	353	42612193
Urogenital infection bacterial	24.55	19.97	5	8784	61	42612485
Lymphopenia	24.39	19.97	26	8763	21537	42591009
Neutrophil count decreased	23.75	19.97	45	8744	63370	42549176
Photodermatosis	23.62	19.97	8	8781	752	42611794
Purpura non-thrombocytopenic	23.59	19.97	5	8784	75	42612471
Hydrocephalus	23.50	19.97	15	8774	6063	42606483
Human bocavirus infection	23.17	19.97	5	8784	82	42612464
Optic neuropathy	23.14	19.97	11	8778	2501	42610045
Elbow synostosis	22.79	19.97	4	8785	20	42612526
Retinitis	22.73	19.97	7	8782	486	42612060
Central nervous system lesion	22.25	19.97	16	8773	7854	42604692
Face oedema	22.03	19.97	20	8769	13646	42598900
Product dose omission issue	21.79	19.97	3	8786	154362	42458184
Staphylococcal skin infection	21.09	19.97	8	8781	1043	42611503
Bronchospasm	21.05	19.97	19	8770	12866	42599680
Pancreatitis acute	20.95	19.97	30	8759	33534	42579012
Thrombocytopenia	20.85	19.97	86	8703	190193	42422353
Multiple organ dysfunction syndrome	20.69	19.97	55	8734	96980	42515566
Graft versus host disease in gastrointestinal tract	20.65	19.97	13	8776	5130	42607416
Parvovirus B19 infection	20.39	19.97	9	8780	1725	42610821
Stenotrophomonas bacteraemia	20.27	19.97	5	8784	151	42612395
Tongue disorder	20.11	19.97	13	8776	5370	42607176

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Aplastic anaemia	307.28	19.44	117	14499	24191	110550492
Febrile neutropenia	269.44	19.44	266	14350	316501	110258182
Nocardiosis	255.13	19.44	76	14540	7410	110567273
Toxoplasmosis	242.07	19.44	61	14555	3178	110571505
Pneumocystis jirovecii pneumonia	237.63	19.44	115	14501	42620	110532063
Neutropenia	167.73	19.44	226	14390	374394	110200289
Mucosal inflammation	153.60	19.44	116	14500	96025	110478658
Graft versus host disease	130.45	19.44	59	14557	18747	110555936
Respiratory failure	129.97	19.44	151	14465	215181	110359502
Cerebral toxoplasmosis	129.58	19.44	37	14579	3105	110571578
Cytokine release syndrome	119.35	19.44	88	14528	70218	110504465
Stenotrophomonas infection	114.68	19.44	39	14577	5819	110568864
Pancytopenia	110.10	19.44	137	14479	209476	110365207
Febrile bone marrow aplasia	109.25	19.44	51	14565	17414	110557269
Pyrexia	102.71	19.44	305	14311	897960	109676723
Haemophagocytic lymphohistiocytosis	98.94	19.44	58	14558	31501	110543182
Cytomegalovirus viraemia	93.27	19.44	46	14570	17718	110556965
Pulmonary nocardiosis	82.27	19.44	25	14591	2604	110572079
Disseminated toxoplasmosis	78.23	19.44	17	14599	460	110574223
Cytomegalovirus infection	76.68	19.44	61	14555	54383	110520300
Chronic graft versus host disease	76.31	19.44	33	14583	9424	110565259
Multiple organ dysfunction syndrome	66.87	19.44	91	14525	151619	110423064
Thrombocytopenia	66.42	19.44	144	14472	348741	110225942
Lymphopenia	63.06	19.44	48	14568	40122	110534561
Venoocclusive liver disease	61.39	19.44	33	14583	15174	110559509
Pain	61.09	19.44	25	14591	954930	109619753
Immune effector cell-associated neurotoxicity syndrome	56.68	19.44	31	14585	14751	110559932
Acute kidney injury	56.25	19.44	198	14418	635232	109939451
Delayed graft function	55.59	19.44	21	14595	4236	110570447
Septic shock	54.13	19.44	84	14532	157444	110417239
Pulmonary mucormycosis	52.90	19.44	17	14599	2126	110572557
Troponin T increased	51.77	19.44	20	14596	4286	110570397
Mucormycosis	51.30	19.44	26	14590	10602	110564081
Enterococcal infection	49.94	19.44	32	14584	20334	110554349
Bone marrow failure	49.73	19.44	49	14567	57799	110516884
Immune reconstitution inflammatory syndrome	48.70	19.44	29	14587	16197	110558486
Thrombotic microangiopathy	48.34	19.44	36	14580	29113	110545570
Mycobacterium avium complex infection	45.76	19.44	20	14596	5857	110568826
Staphylococcal bacteraemia	45.38	19.44	28	14588	16660	110558023
Neutrophil count decreased	45.09	19.44	67	14549	120874	110453809
Systemic mycosis	43.26	19.44	17	14599	3812	110570871
Systemic candida	41.26	19.44	22	14594	9952	110564731
Photodermatosis	41.21	19.44	12	14604	1079	110573604
Bronchopulmonary aspergillosis	41.05	19.44	33	14583	29830	110544853
Cytomegalovirus infection reactivation	40.54	19.44	27	14589	18306	110556377
Dizziness	40.37	19.44	21	14595	698172	109876511
Ectropion	39.69	19.44	10	14606	520	110574163
Botulism	39.56	19.44	10	14606	527	110574156
Glomerulosclerosis	39.34	19.44	12	14604	1265	110573418
Acute respiratory failure	39.13	19.44	49	14567	75211	110499472
Focal myositis	37.94	19.44	6	14610	24	110574659
Oesophagitis	37.93	19.44	31	14585	28684	110545999
Brain oedema	37.81	19.44	32	14584	31066	110543617
Graft versus host disease in gastrointestinal tract	37.71	19.44	20	14596	8948	110565735
Cystitis haemorrhagic	37.10	19.44	22	14594	12187	110562496
Cytopenia	36.64	19.44	31	14585	30085	110544598
Haematopoietic stem cell mobilisation	36.58	19.44	9	14607	424	110574259
Adenovirus infection	36.56	19.44	21	14595	10973	110563710
Cryptosporidiosis infection	36.32	19.44	11	14605	1132	110573551
Optic neuritis	36.29	19.44	21	14595	11126	110563557
Arthralgia	36.21	19.44	30	14586	779602	109795081
Weight increased	36.20	19.44	6	14610	419638	110155045
Acute lung injury	35.63	19.44	14	14602	3137	110571546
Pneumonia toxoplasmal	35.38	19.44	6	14610	40	110574643
Escherichia bacteraemia	35.37	19.44	20	14596	10144	110564539
Pancreatitis acute	34.18	19.44	41	14575	60233	110514450
Antinuclear antibody negative	33.95	19.44	7	14609	146	110574537
Platelet count decreased	33.84	19.44	86	14530	230357	110344326
Hypoalbuminaemia	33.57	19.44	29	14587	28945	110545738
Measles	32.67	19.44	9	14607	662	110574021
N-terminal prohormone brain natriuretic peptide increased	32.57	19.44	16	14600	6105	110568578
Malaise	32.25	19.44	25	14591	671794	109902889
Graft complication	32.18	19.44	10	14606	1122	110573561
Eye infection toxoplasmal	31.56	19.44	9	14607	751	110573932
Antithrombin III	31.16	19.44	6	14610	87	110574596
Thyroid gland abscess	30.55	19.44	6	14610	97	110574586
Off label use	30.52	19.44	317	14299	1499868	109074815
Aspergillus infection	30.41	19.44	26	14590	25590	110549093
Alopecia	29.77	19.44	6	14610	364747	110209936
Fall	29.54	19.44	22	14594	603460	109971223
Product dose omission issue	29.12	19.44	4	14612	321778	110252905
Leukopenia	28.92	19.44	62	14554	148729	110425954
Hyperuricaemia	28.80	19.44	20	14596	14511	110560172
Acanthamoeba infection	28.70	19.44	8	14608	615	110574068
Cardiac pacemaker evaluation	28.62	19.44	6	14610	136	110574547
Fatigue	28.04	19.44	76	14540	1215882	109358801
Kidney fibrosis	28.00	19.44	13	14603	4379	110570304
Tooth dislocation	27.59	19.44	5	14611	51	110574632
Arthropathy	27.43	19.44	3	14613	287519	110287164
Bacterial toxaemia	27.41	19.44	6	14610	168	110574515
Optic neuropathy	27.27	19.44	13	14603	4645	110570038
Hydrocephalus	27.18	19.44	17	14599	10358	110564325
Infectious thyroiditis	26.46	19.44	6	14610	198	110574485
Aplasia	26.07	19.44	15	14601	7858	110566825
Rhodococcus infection	25.62	19.44	7	14609	499	110574184
Vanishing bile duct syndrome	25.38	19.44	11	14605	3157	110571526
Staphylococcal scalded skin syndrome	25.11	19.44	7	14609	538	110574145
Peripheral swelling	25.08	19.44	11	14605	404023	110170660
Staphylococcal infection	24.99	19.44	38	14578	69906	110504777
Candida infection	24.54	19.44	31	14585	47978	110526705
Genitourinary tract infection	23.92	19.44	6	14610	306	110574377
Blood phosphorus decreased	23.78	19.44	14	14602	7651	110567032
Urogenital infection bacterial	23.70	19.44	5	14611	117	110574566
Plasma cell myeloma	23.64	19.44	35	14581	62901	110511782
Enterovirus infection	23.44	19.44	10	14606	2760	110571923
Central nervous system lesion	23.12	19.44	18	14598	15535	110559148
Sepsis	23.08	19.44	95	14521	327251	110247432
Human herpesvirus 6 infection	23.03	19.44	13	14603	6568	110568115
Asthma	22.91	19.44	3	14613	250288	110324395
Graft versus host disease in skin	22.83	19.44	14	14602	8240	110566443
Contraindicated product administered	22.67	19.44	3	14613	248264	110326419
Odynophagia	22.45	19.44	17	14599	14084	110560599
Anxiety	22.05	19.44	9	14607	345069	110229614
Respiratory syncytial virus infection	22.05	19.44	17	14599	14467	110560216
Otitis media	21.49	19.44	13	14603	7463	110567220
Renal impairment	21.36	19.44	64	14552	188381	110386302
Bronchospasm	21.26	19.44	23	14593	30216	110544467
Mycobacterium fortuitum infection	21.12	19.44	6	14610	494	110574189
Abdominal discomfort	21.07	19.44	13	14603	393845	110180838
Urticaria	20.89	19.44	8	14608	318849	110255834
Transfusion	20.82	19.44	21	14595	25451	110549232
Phaeohyphomycosis	20.74	19.44	8	14608	1706	110572977
Purpura non-thrombocytopenic	20.59	19.44	5	14611	223	110574460
Varicella	20.53	19.44	10	14606	3745	110570938
Micrococcal sepsis	20.46	19.44	4	14612	63	110574620
Myocarditis toxoplasmal	20.34	19.44	4	14612	65	110574618
Hepatocellular injury	20.23	19.44	29	14587	50613	110524070
Demodicidosis	20.21	19.44	5	14611	241	110574442
Staphylococcal skin infection	20.01	19.44	8	14608	1877	110572806
Encephalitis cytomegalovirus	19.90	19.44	8	14608	1902	110572781
Diaphragmatic hernia	19.89	19.44	6	14610	609	110574074
Pulmonary necrosis	19.86	19.44	6	14610	612	110574071
Parvovirus B19 infection	19.85	19.44	9	14607	2872	110571811
Nasopharyngitis	19.77	19.44	14	14602	394347	110180336
Headache	19.67	19.44	56	14560	882321	109692362
Acute graft versus host disease in skin	19.47	19.44	14	14602	10726	110563957

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	P01CX01	ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS Other agents against leishmaniasis and trypanosomiasis
FDA EPC	N0000175485	Antiprotozoal
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D000935	Antifungal Agents
MeSH PA	D000977	Antiparasitic Agents
MeSH PA	D000981	Antiprotozoal Agents
MeSH PA	D014344	Trypanocidal Agents
CHEBI has role	CHEBI:33281	antimicrobial agent
CHEBI has role	CHEBI:35610	antineoplastic agent
CHEBI has role	CHEBI:35718	antifungal agent
CHEBI has role	CHEBI:36335	trypanocidal drug
CHEBI has role	CHEBI:64946	anti-HIV agent
CHEBI has role	CHEBI:70868	antileishmanial agent
CHEBI has role	CHEBI:35441	antiinfective agent
CHEBI has role	CHEBI:35526	hypoglycemic agent
CHEBI has role	CHEBI:35703	xenobiotic
CHEBI has role	CHEBI:60643	NMDA receptor antagonist
CHEBI has role	CHEBI:63673	chemokine receptor 5 antagonist
CHEBI has role	CHEBI:67079	anti-inflammatory agent
CHEBI has role	CHEBI:76395	EC 2.3.1.48 (histone acetyltransferase) inhibitor
CHEBI has role	CHEBI:130181	calmodulin antagonist
CHEBI has role	CHEBI:136651	S100 calcium-binding protein B inhibitor
CHEBI has role	CHEBI:231911	renoprotective agent

Related Drugs by ATC class:

P01CX Other agents against leishmaniasis and trypanosomiasis 3 drugs

eflornithine miltefosine suramin

Drug Use | Suggest Off label Use Form| |View source of the data|

Disease	Relation	SNOMED_ID	DOID
African trypanosomiasis	indication	27031003	DOID:10112
Pneumocystosis jiroveci pneumonia	indication	415125002	DOID:11339
Pneumocystis Carinii Pneumonia Prevention	indication
Visceral leishmaniasis	off-label use	186803007	DOID:9146
Cutaneous leishmaniasis	off-label use	240637006	DOID:9111
Hypocalcemia	contraindication	5291005
Hyperkalemia	contraindication	14140009
Torsades de pointes	contraindication	31722008
Dehydration	contraindication	34095006
Hypertensive disorder	contraindication	38341003	DOID:10763
Conduction disorder of the heart	contraindication	44808001
Low blood pressure	contraindication	45007003
Diabetes mellitus	contraindication	73211009	DOID:9351
Hyperglycemia	contraindication	80394007	DOID:4195
Leukopenia	contraindication	84828003	DOID:615
Kidney disease	contraindication	90708001	DOID:557
Liver function tests abnormal	contraindication	166603001
Hypomagnesemia	contraindication	190855004
Asthma	contraindication	195967001	DOID:2841
Acute pancreatitis	contraindication	197456007	DOID:2913
Disease of liver	contraindication	235856003	DOID:409
Toxic nephropathy	contraindication	236514003
Hypoglycemic disorder	contraindication	237630007
Anemia	contraindication	271737000	DOID:2355
Thrombocytopenic disorder	contraindication	302215000	DOID:1588

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	11.38	Basic
pKa2	10.78	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Protein S100-B	Cytosolic other	P04271	S100B_HUMAN	Kd	6	CHEMBL
Amiloride-sensitive amine oxidase [copper-containing]	Enzyme	P19801	AOC1_HUMAN	Ki	6.54	CHEMBL
Alpha-2A adrenergic receptor	GPCR	P08913	ADA2A_HUMAN	Ki	6.29	DRUG MATRIX
Potassium voltage-gated channel subfamily H member 2	Ion channel	Q12809	KCNH2_HUMAN	Ki	4.89	DRUG MATRIX
Sodium-dependent noradrenaline transporter	Transporter	P23975	SC6A2_HUMAN	Ki	5.66	DRUG MATRIX
5-hydroxytryptamine receptor 2A	GPCR	P28223	5HT2A_HUMAN	Ki	6.33	DRUG MATRIX
5-hydroxytryptamine receptor 2C	GPCR	P28335	5HT2C_HUMAN	Ki	5.77	DRUG MATRIX
D(3) dopamine receptor	GPCR	P35462	DRD3_HUMAN	Ki	5.87	DRUG MATRIX
Muscarinic acetylcholine receptor M2	GPCR	P08172	ACM2_HUMAN	Ki	6.30	DRUG MATRIX
Muscarinic acetylcholine receptor M4	GPCR	P08173	ACM4_HUMAN	Ki	6.66	DRUG MATRIX
Muscarinic acetylcholine receptor M5	GPCR	P08912	ACM5_HUMAN	Ki	5.68	DRUG MATRIX
Sodium-dependent dopamine transporter	Transporter	Q01959	SC6A3_HUMAN	Ki	5.60	DRUG MATRIX
Alpha-1D adrenergic receptor	GPCR	P25100	ADA1D_HUMAN	Ki	6.31	DRUG MATRIX
Amine oxidase [flavin-containing] A	Enzyme	P21397	AOFA_HUMAN	IC50	6.10	DRUG MATRIX
Plasminogen	Enzyme	P00747	PLMN_HUMAN	IC50	5.44	CHEMBL
Trypsin-1	Enzyme	P07477	TRY1_HUMAN	Ki	5.64	CHEMBL
Coagulation factor X	Enzyme	P00742	FA10_HUMAN	IC50	4.98	CHEMBL
Suppressor of tumorigenicity 14 protein	Enzyme	Q9Y5Y6	ST14_HUMAN	Ki	5.94	CHEMBL
Protein arginine N-methyltransferase 1	Enzyme	Q99873	ANM1_HUMAN	IC50	4.09	CHEMBL
Solute carrier family 22 member 1	Transporter	O15245	S22A1_HUMAN	IC50	4.66	CHEMBL
Solute carrier family 22 member 2	Transporter	O15244	S22A2_HUMAN	IC50	5.92	CHEMBL
Multidrug and toxin extrusion protein 1	Transporter	Q96FL8	S47A1_HUMAN	IC50	6.39	CHEMBL
Multidrug and toxin extrusion protein 2	Transporter	Q86VL8	S47A2_HUMAN	IC50	5.57	CHEMBL
Solute carrier family 22 member 3	Transporter	O75751	S22A3_HUMAN	IC50	5.02	CHEMBL
Glutamate NMDA receptor; GRIN1/GRIN2A	Ion channel	Q05586 Q12879	NMDZ1_HUMAN NMDE1_HUMAN	IC50	6.14	CHEMBL
Spermidine/spermine N(1)-acetyltransferase 1	Enzyme	P21673	SAT1_HUMAN	Ki	5.70	CHEMBL
Protein-tyrosine phosphatase 4A3	Enzyme	O75365	TP4A3_HUMAN	IC50	4.27	CHEMBL
Transmembrane protease serine 2	Enzyme	O15393	TMPS2_HUMAN	IC50	5.92	CHEMBL
Protein tyrosine phosphatase type IVA 2	Enzyme	Q12974	TP4A2_HUMAN	IC50	6.52	CHEMBL
Protein tyrosine phosphatase type IVA 1	Enzyme	Q93096	TP4A1_HUMAN	IC50	6.52	CHEMBL
Alpha-1B adrenergic receptor	GPCR		ADA1B_RAT	Ki	6.27	DRUG MATRIX
Alpha-1A adrenergic receptor	GPCR		ADA1A_RAT	IC50	5.92	CHEMBL
Pteridine reductase 1	Enzyme		PTR1_LEIMA	IC50	4.06	CHEMBL
Glutamate NMDA receptor	Ion channel		NMDZ1_RAT NMDE1_RAT NMDE2_RAT NMDE3_RAT NMDE4_RAT NMD3B_RAT NMD3A_RAT	IC50	5.88	CHEMBL
Acrosin	Enzyme		ACRO_PIG	Ki	5.64	CHEMBL
Protein S100-B	Cytosolic other		S100B_RAT	Kd	4.36	CHEMBL

External reference:

ID	Source
4019043	VUID
N0000178948	NUI
D00834	KEGG_DRUG
140-64-7	SECONDARY_CAS_RN
4019043	VANDF
4019881	VANDF
C0030863	UMLSCUI
CHEBI:45081	CHEBI
CHEMBL55	ChEMBL_ID
CHEMBL361506	ChEMBL_ID
DB00738	DRUGBANK_ID
D010419	MESH_DESCRIPTOR_UI
4735	PUBCHEM_CID
4167	INN_ID
673LC5J4LQ	UNII
7994	RXNORM
2196	MMSL
5250	MMSL
7933	MMSL
d00030	MMSL
002971	NDDF
16826009	SNOMEDCT_US
31692006	SNOMEDCT_US
372699006	SNOMEDCT_US
PNT	PDB_CHEM_ID
6823-79-6	SECONDARY_CAS_RN
673LC5J4LQ	INXIGHT DRUGS

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
Pentamidine Isethionate	HUMAN PRESCRIPTION DRUG LABEL	1	0121-1101	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	300 mg	INTRAMUSCULAR	ANDA	13 sections
Pentamidine Isethionate	HUMAN PRESCRIPTION DRUG LABEL	1	0121-1102	INHALANT	300 mg	RESPIRATORY (INHALATION)	ANDA	21 sections
Pentamidine Isethionate	HUMAN PRESCRIPTION DRUG LABEL	1	13925-515	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	300 mg	INTRAMUSCULAR	ANDA	13 sections
Pentamidine Isethionate	HUMAN PRESCRIPTION DRUG LABEL	1	13925-522	INHALANT	300 mg	RESPIRATORY (INHALATION)	ANDA	21 sections
pentamidine isethionate	HUMAN PRESCRIPTION DRUG LABEL	1	23155-748	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	300 mg	INTRAMUSCULAR	ANDA	17 sections
pentamidine isethionate	HUMAN PRESCRIPTION DRUG LABEL	1	23155-748	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	300 mg	INTRAMUSCULAR	ANDA	17 sections
Pentamidine Isethionate	HUMAN PRESCRIPTION DRUG LABEL	1	39822-3030	INHALANT	300 mg	RESPIRATORY (INHALATION)	ANDA	23 sections
PENTAMIDINE ISETHIONATE	HUMAN PRESCRIPTION DRUG LABEL	1	39822-3050	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	300 mg	INTRAVENOUS	ANDA	24 sections
Pentam 300	HUMAN PRESCRIPTION DRUG LABEL	1	63323-113	INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION	300 mg	INTRAMUSCULAR	NDA	13 sections
NebuPent	HUMAN PRESCRIPTION DRUG LABEL	1	63323-877	INHALANT	300 mg	RESPIRATORY (INHALATION)	NDA	12 sections

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pentamidine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Description:

Drug dosage:

ADMET properties:

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Approvals:

FDA Adverse Event Reporting System (Female)

FDA Adverse Event Reporting System (Male)

FDA Adverse Event Reporting System (Geriatric)

FDA Adverse Event Reporting System (Pediatric)

Pharmacologic Action:

Related Drugs by ATC class:

Drug Use | Suggest Off label Use Form| |View source of the data|

🐶 Veterinary Drug Use

🐶 Veterinary products

Acid dissociation constants calculated using MoKa v3.0.0

Orange Book patent data (new drug applications)

Orange Book exclusivity data (new drug applications)

Bioactivity Summary:

External reference:

Pharmaceutical products: